Geometry & MOs

Info

ID:	363261
PubChem CID:	127310402
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	338.156575
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	6.99
IP(EA), eV:	-8.94(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylmorpholin-2-yl)methyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCCOC3CCCC3

DOS

IR

Vibrations